Density-functional study of oxygen adsorption on Mo(112)

Atomic oxygen adsorption on the Mo(112) surface has been investigated by means of first-principles total energy calculations. Among the variety of possible adsorption sites it was found that the bridge sites between two Mo atoms of the topmost row are favored for O adsorption at low and medium coverages. At about one monolayer coverage oxygen atoms prefer to adsorb in a quasi-threefold hollow sites coordinated by two first-layer Mo atoms and one second layer atom. The stability of a structural model for an oxygen-induced $p(2\times 3)$ reconstruction of the missing-row type is examined.Comment: 6 pages, 6 postscript figures, RevTe

Role of interactions in the far-infrared spectrum of a lateral quantum dot molecule

We study the effects of electron-electron correlations and confinement potential on the far-infrared spectrum of a lateral two-electron quantum dot molecule by exact diagonalization. The calculated spectra directly reflect the lowered symmetry of the external confinement potential. Surprisingly, we find interactions to drive the spectrum towards that of a high-symmetry parabolic quantum dot. We conclude that far-infrared spectroscopy is suitable for probing effective confinement of the electrons in a quantum dot system, even if interaction effects cannot be resolved in a direct fashion.Comment: 4 pages, 2 figure

Wigner molecules in polygonal quantum dots: A density functional study

We investigate the properties of many-electron systems in two-dimensional polygonal (triangle, square, pentagon, hexagon) potential wells by using the density functional theory. The development of the ground state electronic structure as a function of the dot size is of particular interest. First we show that in the case of two electrons, the Wigner molecule formation agrees with the previous exact diagonalization studies. Then we present in detail how the spin symmetry breaks in polygonal geometries as the spin density functional theory is applied. In several cases with more than two electrons, we find a transition to the crystallized state, yielding coincidence with the number of density maxima and the electron number. We show that this transition density, which agrees reasonably well with previous estimations, is rather insensitive to both the shape of the dot and the electron number.Comment: 8 pages, 11 figure

Stopping Power for Low-Energy Electrons

Descriptions of inelastic processes for the slowing down of electrons in condensed matter are presented for the energy range between a few eV and a few keV. Attempts at quantitative theories of stopping are summarized, with an emphasis on obtaining useful cross section expressions for Monte Carlo simulations and analytic transport theories. Inelastic scattering with both electrons (conduction and core) and density fluctuations (phonons) are included. The main emphasis in the theories for the former is in the dielectric (self-energy) formulation for the conduction band and in using generalized oscillator strengths or semiclassical excitation functions for the core. Recent applications to specific systems are discussed

Far-infrared spectra of lateral quantum dot molecules

We study effects of electron-electron interactions and confinement potential on the magneto-optical absorption spectrum in the far-infrared range of lateral quantum dot molecules. We calculate far-infrared (FIR) spectra for three different quantum dot molecule confinement potentials. We use accurate exact diagonalization technique for two interacting electrons and calculate dipole-transitions between two-body levels with perturbation theory. We conclude that the two-electron FIR spectra directly reflect the symmetry of the confinement potential and interactions cause only small shifts in the spectra. These predictions could be tested in experiments with nonparabolic quantum dots by changing the number of confined electrons. We also calculate FIR spectra for up to six noninteracting electrons and observe some additional features in the spectrum.Comment: For better quality Figs download manuscript from http://www.fyslab.hut.fi/~mma/FIR/Helle_qdmfir.ps.g